SCHEMBL2353533

SCHEMBL2353533

CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)no2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.64
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
SMPD1 P17405 1/20 0.61
PLA2G4B P0C869 6/20 0.60
PTPN11 Q06124 1/20 0.58
CXCR1 P25024 2/20 0.57
CYP1A2 P05177 1/20 0.56
CYP19A1 P11511 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PLA2G4A P47712 1/20 0.55
ABCB1 P08183 1/20 0.54
ABCC1 P33527 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7403884 1.00 RARB (0.64) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL12243285 0.99 RARB (0.67) RARBTP53TSHRSMPD1PLA2G4B
Ammonia Solution, Strong SCHEMBL17822400 0.99 RARB (0.63) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL2353001 0.99 RARB (0.67) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL2354881 0.99 RARB (0.67) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL5148937 0.99 RARB (0.63) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL2354038 0.98 SMPD1 (0.63) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL903875 0.91 SMPD1 (0.61) RARBTP53TSHRSMPD1CXCR1
SCHEMBL12243188 0.90 SMPD1 (0.60) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL6132946 0.90 CXCR1 (0.56) RARBTP53TSHRSMPD1PLA2G4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178296-A Preparation method of micafungin side chain and preparation method of micafungin 广东新达瑞生物科技有限公司 2023-05-30 CN claimed
EP-3226885-A2 INTERMEDIATES AND PROCESSES TO PREPARE MICAFUNGIN Alaparthi, Lakshmi Prasad (IN) 2017-10-11 EP claimed
WO-2016056023-A2 INTERMEDIATES AND PROCESSES TO PREPARE MICAFUNGIN ALAPARTHI LAKSHMI PRASAD (IN) 2016-04-14 WO claimed
JP-4784093-B2 2011-09-28 JP claimed
US-7199248-B2 Process ASTELLAS PHARMA INC. (JP) 2007-04-03 US claimed
US-20050227914-A1 New process FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 US claimed
WO-2004014879-A1 NEW PROCESS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-19 WO claimed
CN-116178296-A Preparation method of micafungin side chain and preparation method of micafungin 广东新达瑞生物科技有限公司 2023-05-30 CN disclosed
CN-116178296-A Preparation method of micafungin side chain and preparation method of micafungin 广东新达瑞生物科技有限公司 2023-05-30 CN disclosed
US-10954272-B2 Method for acylating a cyclic peptide Centrient Pharmaceuticals Netherlands B.V. 2021-03-23 US disclosed
CN-111116503-A Preparation method of high-purity micafungin intermediate 南京奇可药业有限公司 2020-05-08 CN disclosed
CN-110734408-A preparation method of micafungin derivative side chain intermediate 重庆康乐制药有限公司 2020-01-31 CN disclosed
US-20170327540-A1 METHOD FOR ACYLATING A CYCLIC PEPTIDE Centrient Pharmaceuticals Netherlands B.V. (NL) 2017-11-16 US disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050227914-A1 New process CA2, AKR1C3, AGTR2 RARB 3322/4885TP53 2802/4885TSHR 2678/4885
US-10954272-B2 Method for acylating a cyclic peptide VIP, NGLY1, PTMS RARB 4728/4885TP53 4159/4885TSHR 4323/4885
US-20170327540-A1 METHOD FOR ACYLATING A CYCLIC PEPTIDE VIP, NGLY1, PTMS RARB 4728/4885TP53 4159/4885TSHR 4323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.